CID 130334

Nsc355457

Structural Information

Molecular Formula
C20H20NO4
SMILES
C[N+]1=CC2=CC(=C(C=C2C3=C1C4=CC(=C(C=C4C3)O)OC)OC)OC
InChI
InChI=1S/C20H19NO4/c1-21-10-12-7-18(24-3)19(25-4)8-13(12)15-5-11-6-16(22)17(23-2)9-14(11)20(15)21/h6-10H,5H2,1-4H3/p+1
InChIKey
UJJNOHQDHANFJX-UHFFFAOYSA-O
Compound name
2,3,8-trimethoxy-6-methyl-11H-indeno[1,2-c]isoquinolin-6-ium-9-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

338.13922 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.14650 182.5
[M+Na]+ 361.12844 193.5
[M-H]- 337.13194 187.8
[M+NH4]+ 356.17304 199.5
[M+K]+ 377.10238 183.4
[M+H-H2O]+ 321.13648 177.6
[M+HCOO]- 383.13742 200.4
[M+CH3COO]- 397.15307 207.2
[M+Na-2H]- 359.11389 188.2
[M]+ 338.13867 188.8
[M]- 338.13977 188.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe